P. R. Westmoreland

发表

In situ gasification - Recovery of inaccessible coal reserves

R. C. Forrester, A. P. Sikri, P. R. Westmoreland, 1978 .

Modeling Ignition of Catalytic Reactors with Detailed Surface Kinetics and Transport: Oxidation of H2/Air Mixtures over Platinum Surfaces

P. R. Westmoreland, D. Vlachos, P. Bui, 1997 .

Concerted reactions and mechanism of glucose pyrolysis and implications for cellulose kinetics.

P. R. Westmoreland, V. Seshadri, Vikram Seshadri, 2012, The journal of physical chemistry. A.

On the local stability of multiple solutions and oscillatory dynamics of spatially distributed flames

P. R. Westmoreland, D. Vlachos, P. Bui, 1999 .

Catalytic ignition of methane/oxygen mixtures over platinum surfaces: comparison of detailed simulations and experiments

P. R. Westmoreland, D. Vlachos, P. Bui, 1997 .

Biofuel combustion chemistry: from ethanol to biodiesel.

P. R. Westmoreland, C. Westbrook, P. Oßwald, 2010, Angewandte Chemie.

Monosaccharide Isomer Interconversions Become Significant at High Temperatures.

P. R. Westmoreland, Charles J McGill, Charles J. McGill, 2018, The journal of physical chemistry. A.

Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry

P. R. Westmoreland, T. Cool, K. Kohse-Höinghaus, 2009 .

Measuring hydroperoxide chain-branching agents during n-pentane low-temperature oxidation

P. R. Westmoreland, F. Battin‐Leclerc, O. Herbinet, 2017 .

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

Melita L. Morton, P. R. Westmoreland, J. Stanton, 2005 .

Inhibition of Premixed Methane–Air Flames by Fluoroethanes and Fluoropropanes

Valeri I. Babushok, Gregory T. Linteris, Phillip R. Westmoreland, 1998 .

Theoretical Prediction of Thermochemical and Kinetic Properties of Fluorocarbons

P. R. Westmoreland, M. Zachariah, W. Tsang, 1997 .

Benzene precursors and formation routs in a stoichiometriccyclohexane flame

Craig A. Taatjes, Nils Hansen, Phillip R. Westmoreland, 2008 .

Multiple benzene-formation paths in a fuel-rich cyclohexane flame

Nils Hansen, Phillip R. Westmoreland, Katharina Kohse-Höinghaus, 2011 .

A model of tetrahydrofuran low-temperature oxidation based on theoretically calculated rate constants

P. R. Westmoreland, F. Battin‐Leclerc, O. Herbinet, 2018 .

Thermochemical and chemical kinetic data for fluorinated hydrocarbons

Phillip R. Westmoreland, Wing Tsang, Michael R. Zachariah, 1995 .

MOLECULAR-MODELING METHODS AND USE FOR PRODUCT AND PROCESS DESIGN

P. R. Westmoreland, A. Panagiotopoulos, 2004 .

Pyrolysis of large coal blocks: implications of heat and mass transport effects for in situ gasificiation

R. C. Forrester, P. R. Westmoreland, R. Forrester, 1977 .

Reaction of phenol with singlet oxygen.

P. R. Westmoreland, B. Dlugogorski, Ibukun Oluwoye, 2018, Physical chemistry chemical physics : PCCP.

Dynamic Chemical Model for H2/O2 Combustion Developed Through a Community Workflow

Craig D. Needham, S. M. Sarathy, M. P. Burke, 2018, 1801.10093.

Reaction of Aniline with Singlet Oxygen (O21Δg).

P. R. Westmoreland, B. Dlugogorski, M. Altarawneh, 2017, The journal of physical chemistry. A.

Biofuel Combustion Chemistry: From Ethanol to Biodiesel

Charles K. Westbrook, Nils Hansen, Phillip R. Westmoreland, 2010 .

Integrated data-model analysis facilitated by an Instrumental Model

Michael Frenklach, Andrew Packard, Devin R. Yeates, 2015 .

Synchrotron photoionization measurements of combustion intermediates: photoionization efficiency and identification of C3H2 isomers.

P. R. Westmoreland, James A. Miller, S. Klippenstein, 2005, Physical chemistry chemical physics : PCCP.

Two-dimensional pyrolysis effects during in-situ coal gasification: preliminary results

P. R. Westmoreland, R. Forrester, 1979 .

Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies.

Marcos Chaos, Bin Yang, Nils Hansen, 2009, Physical chemistry chemical physics : PCCP.

Photoionization mass spectrometry and modeling studies of the chemistry of fuel-rich dimethyl ether flames☆

P. R. Westmoreland, Juan Wang, T. Cool, 2007 .

Homogeneous ignition of hydrogen-air mixtures over platinum

Phillip R. Westmoreland, Dionisios G. Vlachos, P. R. Westmoreland, 1996 .

IR Laser Absorption and Modeling Studies of Hydrocarbon Flames Inhibited by Candidate Halon Replacement Compounds.

P. R. Westmoreland, M. Zachariah, A. Miziolek, 1994 .

"Imaging" combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry.

P. R. Westmoreland, T. Cool, D. Osborn, 2008, Physical chemistry chemical physics : PCCP.

Identification of C5Hx isomers in fuel-rich flames by photoionization mass spectrometry and electronic structure calculations.

P. R. Westmoreland, James A. Miller, S. Klippenstein, 2005, The journal of physical chemistry. A.

Identification and chemistry of C4H3 and C4H5 isomers in fuel-rich flames.

P. R. Westmoreland, James A. Miller, S. Klippenstein, 2006, The journal of physical chemistry. A.

Species identification in a laminar premixed low-pressure flame of morpholine as a model substance for oxygenated nitrogen-containing fuels.

P. R. Westmoreland, P. Oßwald, T. Cool, 2009 .

Photoionization mass spectrometric studies and modeling of fuel-rich allene and propyne flames.

P. R. Westmoreland, James A. Miller, Juan Wang, 2007 .

Measured Flame Structure and Kinetics in a Fuel-Rich Ethylene Flame 1 1 This report was prepared as

P. R. Westmoreland, A. Bhargava, 1998 .

Thermochemistry and Kinetics of C2H3+ 02 Reactions

P. R. Westmoreland, 1992 .

Shock tube measurements and model development for morpholine pyrolysis and oxidation at high pressures

P. R. Westmoreland, R. Hanson, N. Labbe, 2013 .

Comparative kinetics of high-temperature reaction between hydrogen sulfide and selected metal oxides

P. R. Westmoreland, D. Harrison, J. B. Gibson, 1977 .

Effect of Sodium Tungstate Promoter on the Reduction Kinetics of CaMn0.9Fe0.1O3 for Chemical Looping – Oxidative Dehydrogenation of Ethane

P. R. Westmoreland, Fanxing Li, Ryan B. Dudek, 2020 .

A Bond-Energy/Bond-Order and Populations Relationship.

G. A. Petersson, P. R. Westmoreland, M. Frisch, 2022, Journal of chemical theory and computation.

Benzene formation in premixed fuel-rich 1,3-butadiene flames

P. R. Westmoreland, James A. Miller, Juan Wang, 2009 .

Forming benzene in flames by chemically activated isomerization

P. R. Westmoreland, J. Longwell, A. Dean, 1989 .

Fuel-structure dependence of benzene formation processes in premixed flames fueled by C6H12 isomers

P. R. Westmoreland, P. Oßwald, T. Cool, 2011 .

Isomer-specific combustion chemistry in allene and propyne flames

P. R. Westmoreland, James A. Miller, Juan Wang, 2009 .

Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame.

P. R. Westmoreland, S. Klippenstein, T. Cool, 2006, The journal of physical chemistry. A.

Design and Lipase Catalyzed Synthesis of 4-Methylcoumarin-siloxane Hybrid Copolymers

P. R. Westmoreland, M. Pandey, V. S. Parmar, 2008 .

C1 AND Cz FLUORINATED HYDROCARBON EFFECTS ON THE EXTINCTION CHARACTERISTICS OF METHANE VS. AIR COUNTERFLOW DIFFUSION FLAMES

P. R. Westmoreland, M. Zachariah, M. Smooke, 1997 .

BAC-MP4 PREDICTIONS OF THERMOCHEMICAL DATA FOR C1 AND C2 STABLE AND RADICAL HYDROFLUOROCARBONS AND OXIDIZED HYDROFLUOROCARBONS

P. R. Westmoreland, M. Zachariah, W. Tsang, 1996 .

Theoretical Prediction of the Thermochemistry and Kinetics of Reactions of CF2O with Hydrogen Atom and Water

P. R. Westmoreland, M. Zachariah, W. Tsang, 1995 .

Mechanism of the thermal decomposition of bisphenol C polycarbonate: nature of its fire resistance

P. R. Westmoreland, S. Stoliarov, 2003 .

Opportunities and challenges for a Golden Age of chemical engineering

Phillip R. Westmoreland, P. R. Westmoreland, 2014, Frontiers of Chemical Science and Engineering.

Thermal degradation of deoxybenzoin polymers studied by pyrolysis-gas chromatography/mass spectrometry

P. R. Westmoreland, R. Farris, T. Emrick, 2008 .

Roles of hydroxyls in the noncatalytic and catalyzed formation of levoglucosan from glucose

P. R. Westmoreland, V. Seshadri, 2016 .

Evaluation of candidate solids for high-temperature desulfurization of low-Btu gases

Douglas P. Harrison, Phillip R. Westmoreland, P. R. Westmoreland, 1976 .

Nanocomposites of TiO 2 and Siloxane Copolymers as Environmentally Safe Flame-Retardant Materials

P. R. Westmoreland, V. S. Parmar, L. Samuelson, 2008 .

Analysis of fuel-lean combustion using chemical mechanisms

Phillip R. Westmoreland, Jack B. Howard, John P. Longwell, 1988 .

Kinetics and mechanism of cellulose pyrolysis

Yu-Chuan Lin, Phillip R. Westmoreland, George W. Huber, 2009 .

Bimolecular QRRK analysis of methyl radical reactions

P. R. Westmoreland, A. Dean, 1987 .

A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames.

P. R. Westmoreland, S. Klippenstein, T. Cool, 2008, Physical chemistry chemical physics : PCCP.

Flame chemistry of tetrahydropyran as a model heteroatomic biofuel

P. R. Westmoreland, N. Labbe, V. Seshadri, 2013 .

Combustion chemistry of the propanol isomers ― investigated by electron ionization and VUV-photoionization molecular-beam mass spectrometry

P. R. Westmoreland, P. Oßwald, Juan Wang, 2009 .

Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters.

Nils Hansen, Katharina Kohse-Höinghaus, P. R. Westmoreland, 2007, The journal of physical chemistry. A.

Kinetic modeling study of ethanol and dimethyl ether addition to premixed low-pressure propene–oxygen–argon flames

P. R. Westmoreland, E. Ranzi, T. Faravelli, 2011 .

Studies of a fuel-rich propane flame with photoionization mass spectrometry

Andrew McIlroy, Craig A. Taatjes, Phillip R. Westmoreland, 2005 .

Combustion chemistry and fuel-nitrogen conversion in a laminar premixed flame of morpholine as a model biofuel

Phillip R. Westmoreland, Katharina Kohse-Höinghaus, Arnas Lucassen, 2011 .

Combustion chemistry of enols: possible ethenol precursors in flames.

P. R. Westmoreland, James A. Miller, Juan Wang, 2006, The journal of physical chemistry. A.

Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source

Lionel Poisson, Andrew McIlroy, Fei Qi, 2005 .

Selective detection of isomers with photoionization mass spectrometry for studies of hydrocarbon flame chemistry

Lionel Poisson, Andrew McIlroy, Fei Qi, 2003 .

Prediction of rate constants for combustion and pyrolysis reactions by bimolecular QRRK

P. R. Westmoreland, J. Longwell, A. Dean, 1986 .

The influence of ethanol addition on premixed fuel-rich propene–oxygen–argon flames

P. R. Westmoreland, P. Oßwald, Juan Wang, 2007 .

Tests of published mechanisms by comparison with measured laminar flame structure in fuel-rich acetylene combustion

Phillip R. Westmoreland, Jack B. Howard, John P. Longwell, 1988 .

Modeling ethylene combustion from low to high pressure

Phillip R. Westmoreland, T. Carriere, Andrei F. Kazakov, 2002 .

MBMS analysis of a fuel-lean ethylene flame

P. R. Westmoreland, A. Bhargava, 1998 .

Enols Are Common Intermediates in Hydrocarbon Oxidation

P. R. Westmoreland, S. Klippenstein, Juan Wang, 2005, Science.

Allene addition to a fuel-lean ethylene flat flame

P. R. Westmoreland, T. Carrière, M. E. Law, 2005 .

The importance of fuel dissociation and propargyl + allyl association for the formation of benzene in a fuel-rich 1-hexene flame.

P. R. Westmoreland, T. Cool, T. Kasper, 2010, Physical chemistry chemical physics : PCCP.

Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels

P. R. Westmoreland, S. Klippenstein, J. Miller, 2012 .

Exploring formation pathways of aromatic compounds in laboratory-based model flames of aliphatic fuels

P. R. Westmoreland, S. Klippenstein, K. Kohse-Höinghaus, 2012, Combustion, Explosion, and Shock Waves.

A Detailed Chemical Kinetic Reaction Mechanism for Oxidation of Four Small Alkyl Esters in Laminar Premixed Flames

P. R. Westmoreland, C. Westbrook, F. Dryer, 2008 .

Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame.

Bin Yang, Nils Hansen, Phillip R. Westmoreland, 2008, The journal of physical chemistry. A.

Applications of reactive molecular dynamics to the study of the thermal decomposition of polymers and nanoscale structures

Marc R. Nyden, Phillip R. Westmoreland, Stanislav I. Stoliarov, 2004 .

A reactive molecular dynamics model of thermal decomposition in polymers: I. Poly(methyl methacrylate)

Glenn P. Forney, Marc R. Nyden, Phillip R. Westmoreland, 2003 .

Assessing the effect of molecular weight on the kinetics of backbone scission reactions in polyethylene using Reactive Molecular Dynamics

P. R. Westmoreland, O. Ezekoye, S. Stoliarov, 2011 .

Thermal decomposition and flammability of fire-resistant, UV/visible-sensitive polyarylates, copolymers and blends

P. R. Westmoreland, R. Farris, A. Plichta, 2002 .

Applications of Molecular and Materials Modeling

Peter T. Cummings, Peter A. Kollman, Ellen B. Stechel, 2002 .

Low Flammability and Thermal Decomposition Behavior of Poly(3,3‘-dihydroxybiphenylisophthalamide) and Its Derivatives

P. R. Westmoreland, R. Farris, Huiqi Zhang, 2003 .

Kinetics of enol formation from reaction of OH with propene.

P. R. Westmoreland, E. Eddings, Hongzhi R. Zhang, 2009, The journal of physical chemistry. A.

Cover Picture: Biofuel Combustion Chemistry: From Ethanol to Biodiesel (Angew. Chem. Int. Ed. 21/2010)

P. R. Westmoreland, C. Westbrook, P. Oßwald, 2010 .

Enhanced ignition of biomass in presence of NOx

Bogdan Z. Dlugogorski, Phillip R. Westmoreland, Mohammednoor Altarawneh, 2017 .

Hydrogen Abstraction from Hydrocarbons by NH2.

P. R. Westmoreland, B. Dlugogorski, M. Altarawneh, 2017, The journal of physical chemistry. A.

Estimating flammability limits through predicting non-adiabatic laminar flame properties

P. R. Westmoreland, Vernon Mascarenhas, Chrissy Weber, 2020 .

Combustion and flammability chemistry for the refrigerant HFO-1234yf (2,3,3,3-tetrafluroropropene)

Craig D. Needham, P. R. Westmoreland, 2017 .

Chemical mechanisms of NOx formation for gas turbine conditions

Alan S. Feitelberg, Phillip R. Westmoreland, P. R. Westmoreland, 1992 .

Multiscale numerical simulation of biomass thermochemical conversion: From micro to macro scales

P. R. Westmoreland, R. Xiao, Q. Xiong, 2020 .

DEVELOPING MACHINE-LEARNING METHODS FOR QUANTITATION OF ORGANIC COMPOUNDS FROM ELECTRON-IONIZATION MASS SPECTROMETRY

P. R. Westmoreland, Arnab Bose, A. Raghu, 2019 .

Oxygen Nonstoichiometry and Defect Models of Brownmillerite-Structured Ca2MnAlO5+δ for Chemical Looping Air Separation

P. R. Westmoreland, C. Müller, Fanxing Li, 2022, ACS Sustainable Chemistry & Engineering.

Predicting Total Electron-Ionization Cross Sections and GC-MS Calibration Factors Using Machine Learning.

P. R. Westmoreland, Arnab Bose, 2020, The journal of physical chemistry. A.

Analysis of flame structure by molecular-beam mass spectrometry using electron-impact and synchrotron-photon ionization

P. R. Westmoreland, T. Cool, C. Taatjes, 2006 .

Molecular Carbonyl Insertion as the Homogeneous Catalysis Mechanism for Transesterification of Dimethyl Terephthalate with Ethylene Glycol

P. R. Westmoreland, Charles J. McGill, 2021 .

RMDff: A smoothly transitioning, forcefield-based representation of kinetics for reactive molecular dynamics simulations

P. R. Westmoreland, S. Stoliarov, M. Nyden, 2007 .

Hierarchical Reduced Models for Catalytic Combustion: H2/Air Mixtures Near Platinum Surfaces

P. R. Westmoreland, D. Vlachos, P. Bui, 1997 .

Fluoromethane chemistry and its role in flame suppression

Phillip R. Westmoreland, Wing Tsang, Michael R. Zachariah, 1994 .

Applying Molecular and Materials Modeling

Peter A. Kollman, Priya Vashishta, Peter T. Cummings, 2010 .

BAC-MP4 Predictions of Thermochemical Data for C1 and C2 Stable and Radical Hydrofluorocarbons and Oxidized Hydrofluorocarbons.

P. R. Westmoreland, M. Zachariah, W. Tsang, 1996 .

Key Species and Important Reactions in Fluorinated Hydrocarbon Flame Chemistry

P. R. Westmoreland, M. Zachariah, W. Tsang, 1997 .

Reaction of phenol with singlet oxygen.

P. R. Westmoreland, B. Dlugogorski, Ibukun Oluwoye, 2018, Physical chemistry chemical physics : PCCP.